N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide

C12H12FNOS — CID 134023621

IUPACN-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
SMILESCCN(C)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C12H12FNOS/c1-3-14(2)12(15)11-7-8-9(13)5-4-6-10(8)16-11/h4-7H,3H2,1-2H3
InChIKeyRRLCONINRKGSSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.13
Rot. Bonds2

About N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide

N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 134023621) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID134023621
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC NameN-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
SMILESCCN(C)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C12H12FNOS/c1-3-14(2)12(15)11-7-8-9(13)5-4-6-10(8)16-11/h4-7H,3H2,1-2H3
InChIKeyRRLCONINRKGSSI-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 17411260
4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 38560898
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
4-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 64510878
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
methyl 5-[[(4-fluoro-1-benzothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484572
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 8834857

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide (CID 134023621) is N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide is CCN(C)C(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is RRLCONINRKGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-3-14(2)12(15)11-7-8-9(13)5-4-6-10(8)16-11/h4-7H,3H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 134023621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).